相关论文: Disentangling electronic and phononic contribution…
We investigate the electronic and phonon properties of hydrogen sulfide (SH$_3$) under ultrahigh pressure to elucidate the origin of its high-T$_c$ superconductivity. Contrary to the prevailing belief that the metalized S-H $\sigma$ bond is…
In this work, we present a comparative first principles study of mechanical properties, electronic structure, phonon dispersion relation, electron-phonon coupling and magnetism in three isostructural superconductors, namely, ThFeAsN,…
An overview of the momentum and frequency dependence of effective electron-electron interactions which favor electronic instability to a superconducting state in the angular-momentum channel $\ell$ and the properties of the interactions…
Searching for ambient-pressure conventional superconductors with critical temperatures (TC) higher than 40 K is a key challenge in the field of high-temperature superconductivity, mainly due to lack of efficient and effective models to…
In conventional superconductors, the interaction that pairs the electrons to form the superconducting state is mediated by lattice vibrations (phonons). In high-transition temperature (high-Tc) copper oxides, it is generally believed that…
The maximum value of the superconducting transition temperature Tc due to a phonon-mediated interaction was estimated by Cohen and Anderson in 1972 from ab initio considerations, and found to be about 10 K. McMillan's semi empirical…
Search for stable high-pressure compounds in the Ti--H system reveals the existence of titanium hydrides with new stoichiometries, including Ibam-Ti$_2$H$_5$, I4/m-Ti$_5$H$_{13}$, I$\bar{4}$-Ti$_5$H$_{14}$, Fddd-TiH$_4$,…
Based on ab-initio calculated parameters, we apply a theoretical model on the iron-based BaFe2As2 superconductor that takes into account dramatic enhancements of the electron-phonon coupling of soft transverse phonons in the FeAs layers and…
High-entropy alloys (HEAs) are exceptional candidates for radiation-resistant materials due to their complex local chemical environment and slow defect migration. Despite commonly overlooked, electronic effects on defects evolution in…
We report measurements of the superconducting critical temperature Tc of polycrystalline MgB2 samples containing isotopically pure (10)B and (11)B under quasi-hydrostatic pressure conditions in He pressure media up to 44 GPa. Measurements…
Helical liquids, formed by time-reversal pairs of interacting electrons in topological edge channels, provide a platform for stabilizing topological superconductivity upon introducing local and nonlocal pairings through the proximity…
Recently superconductivity has been discovered at around 200~K in a hydrogen sulfide system and around 260~K in a lanthanum hydride system, both under pressures of about 200 GPa. These record-breaking transition temperatures bring within…
We present a comprehensive first-principles investigation of a hypothetical cubic Pm-3m phase of the ternary hydride NaAlH3, focusing on its lattice dynamics, electronic structure, and electron-phonon-mediated superconducting properties at…
The quest to govern the driving forces behind superconductivity and gain control over the superconducting transition temperature $T_{c}$ is as old as the phenomenon itself. Microscopically, this requires a proper understanding of the…
High-temperature superconductivity (HTSC) remains one of the most challenging and fascinating mysteries in condensed matter physics. Recently, superconductivity with transition temperature exceeding liquid-nitrogen temperature is discovered…
Pursuing higher-temperature superconductors under ambient pressure continues to be a prominent topic in materials discovery. Isomorphic structures like MgB2 exhibit potential for conventional BCS-type superconductivity, but their transition…
The paper presents the first-principle calculation of the electron-phonon coupling and the temperature dependence of the intrinsic electrical resistivity of the zirconium-hydrogen system with various hydrogen concentrations. The nature of…
Electronic structure of recently discovered isotypic ternary borides Li$_2$Pd$_3$B and Li$_2$Pt$_3$B, with noncentrosymmetric crystal structures, is studied with a view to understanding their superconducting properties. Estimates of the…
The mechanisms for strong electron-phonon coupling predicted for hydrogen-rich alloys with high superconducting critical temperature ($T_c$) are examined within the Migdal-Eliashberg theory. Analysis of the functional derivative of $T_c$…
Polycrystalline HfPd2Al has been synthesized using the arc-melting method and studied under ambient pressure conditions by x-ray diffraction from room temperature up to 450^oC. High pressure x-ray diffraction up to 23 GPa was also performed…